oxetan-3-yl 7-aminoheptanoate

C10H19NO3 — CID 102606717

IUPACoxetan-3-yl 7-aminoheptanoate
SMILESNCCCCCCC(=O)OC1COC1
InChIInChI=1S/C10H19NO3/c11-6-4-2-1-3-5-10(12)14-9-7-13-8-9/h9H,1-8,11H2
InChIKeyYLTFIFOVYXWRFG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.84
Rot. Bonds7

About oxetan-3-yl 7-aminoheptanoate

oxetan-3-yl 7-aminoheptanoate (PubChem CID 102606717) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is oxetan-3-yl 7-aminoheptanoate.

Molecular Properties

Compound Nameoxetan-3-yl 7-aminoheptanoate
PubChem CID102606717
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameoxetan-3-yl 7-aminoheptanoate
SMILESNCCCCCCC(=O)OC1COC1
InChIInChI=1S/C10H19NO3/c11-6-4-2-1-3-5-10(12)14-9-7-13-8-9/h9H,1-8,11H2
InChIKeyYLTFIFOVYXWRFG-UHFFFAOYSA-N
XLogP0.84
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxetan-3-yl 7-aminoheptanoate?
The IUPAC name of oxetan-3-yl 7-aminoheptanoate (CID 102606717) is oxetan-3-yl 7-aminoheptanoate.
What is the SMILES notation for oxetan-3-yl 7-aminoheptanoate?
The canonical SMILES for oxetan-3-yl 7-aminoheptanoate is NCCCCCCC(=O)OC1COC1.
What is the InChIKey of oxetan-3-yl 7-aminoheptanoate?
The InChIKey is YLTFIFOVYXWRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c11-6-4-2-1-3-5-10(12)14-9-7-13-8-9/h9H,1-8,11H2.
What are the key properties of oxetan-3-yl 7-aminoheptanoate?
oxetan-3-yl 7-aminoheptanoate has a molecular weight of 201.27 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxetan-3-yl 7-aminoheptanoate is sourced from PubChem (CID 102606717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).